Propamocarb - analytical standard, ≥99% , CAS No.24579-73-5

CAS: 24579-73-5 Cat. No.: P115119 Formule: C₉H₂₀N₂O₂ Poids moléculaire: 188.27 Beilstein Registry Number: 2080745 Numéro CE: 607-406-2

GRADE & PURITY Analytical standard, ≥99%

Synonyms

3-(4-tert-Butylphenyl)-3-oxo-propionicacidmethylester | PROPOMOCARB | PROPAMOCARB [ISO] | Q1927058 | Propamocarb 10 microg/mL in Acetonitrile | DTXSID1040295 | FT-0630513 | HY-B2026 | PROPYL N-(3-(DIMETHYLAMINO)PROPYL)CARBAMATE | EPA Pesticide Chemical Co

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

3-(4-tert-Butylphenyl)-3-oxo-propionicacidmethylester | PROPOMOCARB | PROPAMOCARB [ISO] | Q1927058 | Propamocarb 10 microg/mL in Acetonitrile | DTXSID1040295 | FT-0630513 | HY-B2026 | PROPYL N-(3-(DIMETHYLAMINO)PROPYL)CARBAMATE | EPA Pesticide Chemical Co

Spécifications et pureté

analytical standard, ≥99%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Analytical standard

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528776402

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528776402

Sourires canoniques

CCCOC(=O)NCCCN(C)C

IUPAC Name

propyl N-[3-(dimethylamino)propyl]carbamate

InChIKey

WZZLDXDUQPOXNW-UHFFFAOYSA-N

INCHI

1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)

Isomères SMILES

CCCOC(=O)NCCCN(C)C

Poids moléculaire

188.27

Beilstein

2080745

Reaxy-Rn

2080745

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2080745&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Trialkylamines Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• External Descriptors: Carbamate fungicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°C): >100°C
• Point de fusion (°C): 45-55°C
• Poids moléculaire: 188.270 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 188.152 Da
• Monoisotopic Mass: 188.152 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1